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Allyl Isothiocyanate

Also known as: Synthetic Mustard Oil, 1-Propenal, 3-isothiocyanato, 2-Propenyl isothiocyanate, Allyl isosulfocyanate, Allyl thiocarbonimide, AITC

IFRA Restriction

This is the maximum allowed percentage of this material in the total finished product, not in the fragrance concentrate.

For example, if a fine fragrance (Category 4A) contains 20% fragrance oil, and IFRA allows 10% of this material, the material can be up to 50% of the fragrance concentrate (10% ÷ 20% = 50%).

CAS 57-06-7

Molecular Information
Molecular Formula C4H5NS
Molecular Weight 99.16 g/mol
Boiling Point 304 °F at 760 mmHg (NTP, 1992)
Flash Point 115 °F (NTP, 1992)
Density 1.0126 at 68 °F (NTP, 1992) - Denser than water; will sink
LogP 2.15
Vapor Pressure 5 mmHg at 77.5 °F ; 10 mmHg at 100.9 °F (NTP, 1992)
InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N
Sources: PubChem

Safety Information
Danger

GHS Classification

Acute toxicity, dermalAcute toxicity, inhalationAcute toxicity, oralFlammable liquidsHazardous to the aquatic environment, acute hazardHazardous to the aquatic environment, long-term hazardSerious eye damage/eye irritationSkin corrosion/irritation

Hazard Statements

  • H226: Flammable liquid and vapor
  • H301: Toxic if swallowed
  • H310: Fatal in contact with skin
  • H315: Causes skin irritation
  • H319: Causes serious eye irritation
  • H330: Fatal if inhaled
  • H400: Very toxic to aquatic life
  • H410: Very toxic to aquatic life with long lasting effects
Sources: PubChem (ECHA C&L)